5GMX
Crystal structure of a family VIII carboxylesterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-16 |
Detector | RAYONIX MX |
Wavelength(s) | 0.97903 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.128, 95.149, 99.943 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.241 - 2.000 |
R-factor | 0.1857 |
Rwork | 0.184 |
R-free | 0.22230 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.051 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 52188 | |
<I/σ(I)> | 22.6 | |
Completeness [%] | 99.3 | |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 295 | 25% w/v polyethylene glycol 3350, 100 mM HEPES, 200 mM NaCl |